Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states
出版年份 2010 全文链接
标题
Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 133, Issue 18, Pages 184106
出版商
AIP Publishing
发表日期
2010-11-12
DOI
10.1063/1.3494538
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Model space incompleteness in multireference state-universal and state-selective coupled-cluster theories
- (2010) Xiangzhu Li et al. CHEMICAL PHYSICS LETTERS
- Multireference coupled-cluster methods for ground and low-lying excited states. A benchmark illustration on CH + potentials
- (2010) Xiangzhu Li et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Force field of para- and metabenzyne diradicals: A multireference coupled-cluster study
- (2010) Xiangzhu Li et al. JOURNAL OF CHEMICAL PHYSICS
- Full implementation and benchmark studies of Mukherjee’s state-specific multireference coupled-cluster ansatz
- (2010) Sanghamitra Das et al. JOURNAL OF CHEMICAL PHYSICS
- Multireference Mukherjee’s coupled cluster method with triexcitations in the linked formulation: Efficient implementation and applications
- (2010) Kiran Bhaskaran-Nair et al. JOURNAL OF CHEMICAL PHYSICS
- Performance of multireference and equation-of-motion coupled-cluster methods for potential energy surfaces of low-lying excited states: Symmetric and asymmetric dissociation of water
- (2010) Xiangzhu Li et al. JOURNAL OF CHEMICAL PHYSICS
- A Multireference Coupled-Cluster Study of Electronic Excitations in Furan and Pyrrole†
- (2010) Xiangzhu Li et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches
- (2009) Piotr Piecuch et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Improving upon the accuracy for doubly excited states within the coupled cluster singles and doubles theory
- (2009) Tomasz Kuś et al. JOURNAL OF CHEMICAL PHYSICS
- Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples
- (2009) David Casanova et al. JOURNAL OF CHEMICAL PHYSICS
- Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space
- (2008) Anna I. Krylov Annual Review of Physical Chemistry
- Full potential energy curve for N2 by the reduced multireference coupled-cluster method
- (2008) Xiangzhu Li et al. JOURNAL OF CHEMICAL PHYSICS
- Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods
- (2008) Xiangzhu Li et al. JOURNAL OF CHEMICAL PHYSICS
- Higher excitations for an exponential multireference wavefunction Ansatz and single-reference based multireference coupled cluster Ansatz: Application to model systems H4, P4, and BeH2
- (2008) Michael Hanrath JOURNAL OF CHEMICAL PHYSICS
- Triple excitations in state-specific multireference coupled cluster theory: Application of Mk-MRCCSDT and Mk-MRCCSDT-n methods to model systems
- (2008) Francesco A. Evangelista et al. JOURNAL OF CHEMICAL PHYSICS
- A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states
- (2008) Dmitry I. Lyakh et al. JOURNAL OF CHEMICAL PHYSICS
- An extended multireference study of the electronic states of para-benzyne
- (2008) Evan B. Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Improving upon CCSD(T): ΛCCSD(T). II. Stationary formulation and derivatives
- (2008) Andrew G. Taube et al. JOURNAL OF CHEMICAL PHYSICS
- Improving upon CCSD(T): ΛCCSD(T). I. Potential energy surfaces
- (2008) Andrew G. Taube et al. JOURNAL OF CHEMICAL PHYSICS
- Application of Double Ionization State-Specific Equation of Motion Coupled Cluster Method to Organic Diradicals
- (2008) Ondřej Demel et al. JOURNAL OF PHYSICAL CHEMISTRY A
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